BioLiP

PDB

BioLiP

PDB CCD ID:

DFV

Number of entries in BioLiP:

Chemical formula:

C15 H12 O4

InChI:

InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2/t14-/m0/s1

InChIKey:

FURUXTVZLHCCNA-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1C2CC(=O)c3ccc(cc3O2)O)O
OpenEye OEToolkits 1.5.0	c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O
CACTVS 3.341	Oc1ccc(cc1)[C@@H]2CC(=O)c3ccc(O)cc3O2
CACTVS 3.341	Oc1ccc(cc1)[CH]2CC(=O)c3ccc(O)cc3O2
ACDLabs 10.04	O=C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3

Name:

7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE;
5-DEOXYFLAVANONE

ChEMBL:

CHEMBL252642

DrugBank:

DB03601

ZINC:

ZINC000000985403

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).